(2R)-N-(4-azanylcyclohexyl)-4-[2-methoxyethyl-[(2-methylphenyl)methyl]amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[2-methoxyethyl-[(2-methylphenyl)methyl]amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[2-methoxyethyl(o-tolylmethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(2-methylphenyl)methyl]amino]-1-[oxo(thiophen-2-yl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(2-methylphenyl)methyl]amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[2-methoxyethyl-(2-methylbenzyl)amino]-1-(2-thenoyl)pipecolinamide Formula: C28H40N4O3S MolecularWeight: 512.7072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(CCOC)C2CCN(C(C2)C(=O)NC3CCC(CC3)N)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=CC=C1CN(CCOC)C2CCN([C@H](C2)C(=O)NC3CCC(CC3)N)C(=O)C4=CC=CS4

InChI

InChI=1S/C28H40N4O3S/c1-20-6-3-4-7-21(20)19-31(15-16-35-2)24-13-14-32(28(34)26-8-5-17-36-26)25(18-24)27(33)30-23-11-9-22(29)10-12-23/h3-8,17,22-25H,9-16,18-19,29H2,1-2H3,(H,30,33)/t22?,23?,24?,25-/m1/s1